SCHEMBL20204052

SCHEMBL20204052

N=C(F)c1cc(S)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GFER P55789 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
MCL1 Q07820 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GLA P06280 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15744180 0.75 KDM4E (0.57) KEAP1KMT2AKDM4EGFERRXFP1
SCHEMBL3360950 0.72 KDM4E (0.63) KEAP1KMT2AKDM4EGFERRXFP1
SCHEMBL13537217 0.71 KDM4E (0.41) KEAP1KMT2AKDM4EGFERRXFP1
SCHEMBL24629784 0.71 ALDH1A1 (0.45) KMT2AKDM4EMEN1POLBMAPT
SCHEMBL22415730 0.69 MAPT (0.45) KEAP1KDM4EPOLBMAPTTDP1
SCHEMBL613359 0.66
SCHEMBL29388106 0.66
SCHEMBL1094017 0.66
SCHEMBL11439259 0.66
SCHEMBL21509689 0.65 LPL (0.42)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018098305-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO disclosed